SCHEMBL7071928

SCHEMBL7071928

CC(=NO)N1CCc2[nH]c(C(C)c3nc4ccc(C(=O)NCCOc5ccccc5C(=O)O)cc4n3C)nc2C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
TPSAB1 Q15661 3/20 0.34
TPSD1 Q9BZJ3 3/20 0.34
TPSG1 Q9NRR2 3/20 0.34
NR1H4 Q96RI1 6/20 0.33
ACSS2 Q9NR19 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HPGD P15428 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7071924 1.00 NPC1 (0.34) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7068661 0.93 NPC1 (0.33) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7068662 0.93 NPC1 (0.33) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7068659 0.92 NPC1 (0.36) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7068430 0.90 NPC1 (0.35) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7071905 0.85 TPSAB1 (0.33) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7068673 0.85 ACSS2 (0.38) NPC1RAB9AACSS2PDE4APDE4B
SCHEMBL7073141 0.84 MAP3K5 (0.34) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7070129 0.83 ACSS2 (0.33) NPC1RAB9AACSS2
SCHEMBL7397634 0.82 L3MBTL1 (0.41) NPC1TPSAB1TPSD1TPSG1ACSS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 NPC1 1362/4885RAB9A 791/4885TPSAB1 5/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NPC1 3932/4885RAB9A 1714/4885TPSAB1 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.